6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one

C14H21N3O2 — CID 126934867

IUPAC6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(NC3COC3)CC2)n1
InChIInChI=1S/C14H21N3O2/c1-10-2-7-14(18)17(16-10)13-5-3-11(4-6-13)15-12-8-19-9-12/h2,7,11-13,15H,3-6,8-9H2,1H3
InChIKeyYJXUEQHORLNJHG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.02
Rot. Bonds3

About 6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one

6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126934867) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one
PubChem CID126934867
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2CCC(NC3COC3)CC2)n1
InChIInChI=1S/C14H21N3O2/c1-10-2-7-14(18)17(16-10)13-5-3-11(4-6-13)15-12-8-19-9-12/h2,7,11-13,15H,3-6,8-9H2,1H3
InChIKeyYJXUEQHORLNJHG-UHFFFAOYSA-N
XLogP1.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one (CID 126934867) is 6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one is Cc1ccc(=O)n(C2CCC(NC3COC3)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is YJXUEQHORLNJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-2-7-14(18)17(16-10)13-5-3-11(4-6-13)15-12-8-19-9-12/h2,7,11-13,15H,3-6,8-9H2,1H3.
What are the key properties of 6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one?
6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126934867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).